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Semi-empirical SCF-MO calculations for the structural and electronic properties of single-wall InP nanotubes
Date
2004-05-14
Author
Erkoç, Şakir
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The structural and electronic properties of armchair and zigzag models of single-wall InP nanotubes have been investigated qualitatively by performing semi-empirical self-consistent-field molecular orbital calculations at the level of PM3 method within the RHF formulation. It has been found that these structures are stable and they may be used as conducting nanowires in nanodevice and optoelectronic applications.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/57712
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/j.theochem.2004.03.013
Collections
Department of Physics, Article
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Ş. Erkoç, “Semi-empirical SCF-MO calculations for the structural and electronic properties of single-wall InP nanotubes,”
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
, pp. 109–113, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57712.